A Computational First Principle Examination of the Elastic, Optical, Structural and Electronic Properties of AlRF(3) (R = N, P) Fluoroperovskites Compounds

This work describes an ab initio principle computational examination of the optical, structural, elastic, electronic and mechanical characteristics of aluminum-based compounds AlRF(3) (R = N, P) halide-perovskites. For optimization purposes, we used the Birch–Murnaghan equation of state and discover...

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Detalles Bibliográficos
Autores principales: Pasha, Amjad Ali, Khan, Hukam, Sohail, Mohammad, Rahman, Nasir, Khan, Rajwali, Ullah, Asad, Khan, Abid Ali, Khan, Aurangzeb, Casini, Ryan, Alataway, Abed, Dewidar, Ahmed Z., Elansary, Hosam O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179785/
https://www.ncbi.nlm.nih.gov/pubmed/37175286
http://dx.doi.org/10.3390/molecules28093876

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179785/
https://www.ncbi.nlm.nih.gov/pubmed/37175286
http://dx.doi.org/10.3390/molecules28093876

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